Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGYRILIVEDDVMIGDLLQKILQREGYRVIWKTDGAD--VLSVIQKVDLVIMDVMLPGEDGYQMSAKIKKLGLGIPVIFLSARNDMDSKLQGLQIG-EDYMVKPFDPRELLLRMRNML---EHHYGTFTQIKHLYIDAVTKKVFNESLHDEVLFTAIERKIFFYLYENRDSILTKEHFFEYLWQLEDRN-PNIVNVHIKKIR-AKINDQAGEMIENIYGEGYRLNTVVKK
1KGS Chain:A ((4-220))
----RVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGS--KEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKGFKKKIIHTVRGIGY--------
General information:
TITO was launched using:
RESULT:
Template:
1KGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108608 for 1456 contacts (-74.6/contact) +
2D Compatibility (PS) -22175 + (NN) -11040 + (LL) 1596
1D Compatibility (HY) -18400 + (ID) 3450
Total energy: -162077.0 ( -111.32 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_1KGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KGS-query.scw
PDB file :
Tito_Scwrl_1KGS.pdb
: